Chemical ID: 4559144

COc1ccc(cc1)CC(=O)OCC2CCCN3C2CCCC3
Chemical ID:
4559144
Name [?]:
2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-ylmethyl 2-(4-methoxyphenyl)acetate
SMILES [?]:
COc1ccc(cc1)CC(=O)OCC2CCCN3C2CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H27NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:9.56286
Area:532.314
Solvation:-3.74499
Coulombic:-31.0401
Bond Count [?]
All:25
Single:21
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.423
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):2.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue